Hi, I tried to start an optimization with a higher level of theory. To do so I though that I could be able to use the checkpoint file from my last optimization by using the option gem=allcheck. I thought that this option was asking gaussian to use the last step geometry of the previous optimization. Althought, I had this error message :
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Charge = 0 Multiplicity = 1
Redundant internal coordinates found in file. (old form).
Cu,0,-0.0357834418,0.5142452866,-0.5473366977
N,0,-1.0667310593,-1.1370780487,-0.8329713054
N,0,-1.7128322872,1.1733446811,0.2368314541
C,0,-0.666494851,-2.1895567198,-1.4975504225
H,0,0.3134445253,-2.203063271,-1.9545738298
C,0,-1.5037053961,-3.3073324549,-1.6179184753
H,0,-1.1647272047,-4.1810374079,-2.1598818076
C,0,-2.7253955248,-3.2916092612,-1.0599891267
H,0,-3.3725061186,-4.1546730614,-1.1519472364
C,0,-3.1725147864,-2.1563355177,-0.3741282281
C,0,-2.3100553642,-1.0471199992,-0.2788473706
C,0,-2.6565090073,0.1903854269,0.292371147
C,0,-3.9154065005,0.4955522694,0.8450653493
C,0,-4.1514891214,1.803815709,1.2836333656
H,0,-5.1131798571,2.0642024764,1.707304954
C,0,-3.1956621214,2.7401490643,1.1646142812
H,0,-3.3847844255,3.7548410784,1.4910258922
C,0,-1.9507799522,2.4011871482,0.6165909006
H,0,-1.184611823,3.1575017633,0.5144954764
S,0,0.3299244142,1.6572926328,-2.5476143589
C,0,1.4784344434,2.8483607076,-1.7965235689
H,0,2.3280291072,2.3017871501,-1.3358274584
H,0,0.9398620385,3.3944579842,-0.9936424019
C,0,1.9956061968,3.7967646395,-2.8407429722
C,0,2.8457143859,3.3300969891,-3.857821977
C,0,1.6473327363,5.1578885062,-2.8058835701
C,0,3.3325746994,4.21064196,-4.8288811023
H,0,3.1301347741,2.2857298473,-3.8969855185
C,0,2.1366043789,6.0349297187,-3.779292181
H,0,0.9956368968,5.5401108075,-2.0300332583
C,0,2.9776973205,5.5617441967,-4.7901187157
H,0,3.9854788721,3.845549742,-5.6110758192
H,0,1.8633654856,7.0817991004,-3.7499139969
H,0,3.3549753041,6.2419785127,-5.5427213279
H,0,-4.7082114594,-0.2328494084,0.9281393982
H,0,-4.167074969,-2.1598805699,0.0464701001
C,0,1.6145114132,-0.5727519459,-0.1704749732
C,0,2.5946933548,-1.2475774151,0.0277558707
C,0,3.7819957428,-2.0666493134,0.269671271
H,0,4.236431447,-2.3548637313,-0.7004663591
H,0,4.5167033863,-1.4860169892,0.864573222
H,0,3.4931724689,-2.9803772429,0.8287873259
Br,0,1.0776685088,1.4368946395,1.4425225823
Recover connectivity data from disk.
All variables have been frozen.
Error termination via Lnk1e in /opt/software/gaussian/g16.b01/l101.exe at Fri Jul 20 00:31:57 2018.
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I used UFF theory for my previous optimization. My inputs are attached to this message. Could someone tell me what I did wrong or what I missunderstood about the geom=allcheck option?
Thank you.
Mathieu